2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine

C14H13BrClNO — CID 55148109

IUPAC2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine
SMILESClCc1ccc(OCCc2ccccn2)c(Br)c1
InChIInChI=1S/C14H13BrClNO/c15-13-9-11(10-16)4-5-14(13)18-8-6-12-3-1-2-7-17-12/h1-5,7,9H,6,8,10H2
InChIKeyUFZQNIHWXHAWCE-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.20
Rot. Bonds5

About 2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine

2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine (PubChem CID 55148109) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine
PubChem CID55148109
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine
SMILESClCc1ccc(OCCc2ccccn2)c(Br)c1
InChIInChI=1S/C14H13BrClNO/c15-13-9-11(10-16)4-5-14(13)18-8-6-12-3-1-2-7-17-12/h1-5,7,9H,6,8,10H2
InChIKeyUFZQNIHWXHAWCE-UHFFFAOYSA-N
XLogP4.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82921694
3-bromo-4-(2-pyridin-2-ylethoxy)benzoic acid
CID 63052810
2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine
CID 60892629
2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
CID 60891470
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528456
2-bromo-4-(chloromethyl)-1-(2-phenylsulfanylethoxy)benzene
CID 79222083
1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine
CID 62911909
5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine
CID 62001343
3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine
CID 61269892
[3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride
CID 139210923
3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine
CID 61269894
2-[2-[5-(bromomethyl)-2-nitrophenoxy]ethyl]pyridine
CID 62116788

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine?
The IUPAC name of 2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine (CID 55148109) is 2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine.
What is the SMILES notation for 2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine?
The canonical SMILES for 2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine is ClCc1ccc(OCCc2ccccn2)c(Br)c1.
What is the InChIKey of 2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine?
The InChIKey is UFZQNIHWXHAWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c15-13-9-11(10-16)4-5-14(13)18-8-6-12-3-1-2-7-17-12/h1-5,7,9H,6,8,10H2.
What are the key properties of 2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine?
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine has a molecular weight of 326.62 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine is sourced from PubChem (CID 55148109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).